Determination of fermentative volatile compounds in aged red wines by near infrared spectroscopy

The purpose of this work was to study the possibility of determination of fermentative volatile compounds in aged red wines using NIR spectroscopy. To achieve this, 240 wines belonging to different geographic zones and elaborated with one or two varieties were analyzed. The volatile compounds were quantified by SBSE-GC–MS. Spectra obtained by NIR were co-related with these values using partial least square (PLS) regression. Calibration and validation statistics showed the quality of the model, after all when is done separately for each of the four geographic zones, and in the case of wines elaborated with two varieties. Consequently, near infrared spectroscopy can be used as an easy and rapid tool to determine fermentative volatile compounds in aged red wines.     

Evaluating the In Vitro Metabolism of Docosahexaenoic Acid in Sheep Rumen Fluid

Rumen metabolism (e.g., biohydrogenation) of dietary unsaturated fatty acids (FA) is one of the main reasons why ruminant fats tend to be highly saturated and contain many isomerized FA intermediates. The process by which long-chain (20- to 24-carbon FA) polyunsaturated FA (LC-PUFA) are metabolized by rumen bacteria is not as well understood as that of linoleic or linolenic acids. In order to better understand the fate of LC-PUFA in the rumen several concentrations of docosahexaenoic acid (DHA) were evaluated in in vitro batch incubations ranging from 100 to 1,500 μg per 6 mL of incubation volume using rumen fluid from sheep and incubated for 0, 1, 2, 3, and 6 h. From the results, it was shown that DHA was extensively metabolized at low (100 to 300 μg/6 mL incubation volume), but not at high level of inclusion (800 μg). At 300 μg of DHA most of the depleted DHA was recovered as LC-DHA metabolites within the first 6 h of incubation, and at the lowest levels (100 μg of incubation volume) further metabolism is apparent at 6 h. Using SP-2560 GC columns several LC-DHA metabolites were shown to elute after 24:0 and just past DHA, a region generally free of interfering FA. The present in vitro study would appear to be a useful method to evaluate the production of DHA metabolites in combination with its depletion.     

Detection and Discrimination of Conspecific Scents by the Anguid Slow-Worm Anguis fragilis

We tested the ability of male slow-worms, Anguis fragilis, a limbless anguid lizard with secretive, semifossorial habits, to detect chemical associated with conspecifics by using a T-maze in the laboratory. Male slow-worms discriminated conspecific male and female scent deposits. Males selected the arm with female scent, suggesting that scent deposits may be used to locate potential mates. Also, male slow-worms did not avoid the chemicals of other males, suggesting that they are not territorial. However, males discriminated their own scent from those of other males, and spent more time exploring the arm with other male scent, which suggests that scent marks may bear information that could be used in future intrasexual social contexts. We conclude that discrimination of conspecifics based on scents may be more widespread than previously expected among lizards inhabiting visually restricted environments.     

Global optimization of large‐scale mixed‐integer linear fractional programming problems: A reformulation‐linearization method and process scheduling applications

Mixed‐integer linear fractional program (MILFP) is a class of mixed‐integer nonlinear programs (MINLP) where the objective function is the ratio of two linear functions and all constraints are linear. Global optimization of large‐scale MILFPs can be computationally intractable due to the presence of discrete variables and the pseudoconvex/pseudoconcave objective function. We propose a novel and efficient reformulation–linearization method, which integrates Charnes–Cooper transformation and Glover's linearization scheme, to transform general MILFPs into their equivalent mixed‐integer linear programs (MILP), allowing MILFPs to be globally optimized effectively with MILP methods. Extensive computational studies are performed to demonstrate the efficiency of this method. To illustrate its applications, we consider two batch scheduling problems, which are modeled as MILFPs based on the continuous‐time formulations. Computational results show that the proposed approach requires significantly shorter CPU times than various general‐purpose MINLP methods and shows similar performance than the tailored parametric algorithm for solving large‐scale MILFP problems. Specifically, it performs with respect to the CPU time roughly a half of the parametric algorithm for the scheduling applications. © 2013 American Institute of Chemical Engineers AIChE J, 59: 4255–4272, 2013     

Time-Dependent Quantum-Mechanical Approaches to the Continuous Spectrum: Scattering Resonances in a Finite Box

Several novel aspects of scattering resonances are studied. An expression, valid for a finite box, relating the continuum phase shift with the energy shift and unperturbed level separation is proposed and applied to obtain the resonance parameters. The effect of the resonance on propagating a wavepacket in imaginary time is studied. It is observed that the resonance strongly affects the cumulants of the energy distribution. In particular, a local minimum of the first derivative of the energy with respect to time (proportional to the second cumulant) serves to estimate the resonance energy and wavefunction. Once the estimate is known, the autocorrelation function is used to evaluate the resonance width. Alternatively, a new iterative approach is developed that is capable of selectively yielding an arbitrary band of energy eigenvalues and eigenfunctions on a grid. This method is applied to give those energy levels that are of interest for the discrete computation of the resonant phase shift, i.e., those close to resonance. Exact (analytical) and approximate results are in good agreement for a particular separable potential model in one dimension. These methods can be extended to realistic potentials in higher dimensions.     

Rheological monitoring of curing reaction of an epoxy system: effect of heating rate

In this work, we present a rheological study of the non-isothermal curing reaction of an epoxy resin, diglycidyl ether of bisphenol A, with aliphatic amines of different functionalities. The reaction was carried out under a linear temperature program and the epoxy-amine mixtures were prepared at different epoxy groups to amine-hydrogen ratios. The effect of vitrification on the curing reaction is analyzed as a function of the heating rate. At low heating rates, the viscous modulus, G″, presents two peaks. The first peak is due to the vitrification-devitrification phenomenon that takes place during cure. At the second peak, the sample is completely cured and the decrement is G″ is only due to the temperature increment.     

Thermal Decomposition of Diammonium Tetrachloroplatinate to form Platinum Nanoparticles and its Application as Electrodes

Pt nanoparticles were obtained via the thermal decomposition of (NH₄)₂[PtCl₄] (diammonium tetrachloroplatinate) by heating from room temperature to 760 °C. The thermal decomposition process was analyzed using thermogravimetric analysis (TGA) and differential thermal analysis (DTA), X-ray thermodiffraction and infrared spectroscopy. The size and structure of the platinum particles were analyzed using transmission electron microscopy (TEM). The electrochemical activity of Pt particles was assessed by cyclic voltammetry in 0.5 M H₂SO₄. The TGA and DTA results suggested that the thermal decomposition of the precursor proceeded in two stages: loss of NH₄Cl at ~300 °C, followed by loss of NH₄Cl and Cl₂ at ~372 °C. Metallic Pt particles were then produced at temperatures of 372 °C and above. At 760 °C, the mean ± SD size of the Pt particles was (4.1 ± 1.6) nm, as determined from TEM measurements. In cyclic voltammetry (CV) measurements, an electrode comprised of glassy carbon and Pt particles in 0.5 M H₂SO₄ exhibited behavior similar to that observed using a polycrystalline Pt electrode.     

Radiative energy loss in a polysilicon CVD reactor

This work aims at understanding the energy loss in the polysilicon deposition reactor during the production of solar grade silicon. The radiative heat transfer between the polysilicon rods and the reactor wall in the so-called Siemens reactor is studied in detail in this paper. First, the most commonly used reactor configuration, 36 rods in three rings, is explained, detailing the particular radiation transfer of each rod toward the wall. Based on this analysis, some proposals for diminishing the energy loss are proposed: enlarge the reactor capacity, improve the properties of the reactor wall and introduce thermal shields. The impact of each proposal on the energy savings is quantified. If the reactor capacity is enlarged from 36 to 60 rods, the energy savings would be around 11 kWh per kg of polysilicon produced (kWh kg⁻¹). Increasing the reflectivity of the wall, the savings would be around 17 kWh kg⁻¹. And finally, the potential for cost reduction because of the introduction of thermal shields would be 20 kWh kg⁻¹.